1-Adamantylthiol

C₁₀H₁₆SCAS 34301-54-7168.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆S
Molar mass: 168.30 g/mol
Exact mass: 168.0973 Da
logP: 2.89Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number

34301-54-7

SMILES

C1C2CC3CC1CC(C2)(C3)S

InChIKey

ADJJLNODXLXTIH-UHFFFAOYSA-N

InChI

InChI=1S/C10H16S/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2

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Names and synonyms

1 names

1-Adamantanethiol

Work with 1-Adamantylthiol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Di-1-adamantylphosphine131211-27-340 % similar 1-Bromoadamantane768-90-140 % similar Amantadine768-94-540 % similar 1-Adamantanol768-95-640 % similar 1-Chloroadamantane935-56-840 % similar Tricyclo(3.3.1.13,7)dec-1-ylmethylamine17768-41-136 % similar 1-Ethyladamantane770-69-436 % similar Tricyclo(3.3.1.1'3,7)dec-1-ylmethanol770-71-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Poly(3-hexylthiophene)104934-50-1 3-Hexylthiophene1693-86-3 2-Hexylthiophene18794-77-9 2-Butyl-5-ethylthiophene54411-06-2

Elsewhere

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